(E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-methyl-phenyl)methyl-methyl-sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-methyl-phenyl)methyl-methyl-sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-methyl-phenyl)methyl-methyl-sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-methylphenyl)methyl-methylsulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-methylphenyl)methyl-methylsulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-methyl-benzyl)-methyl-sulfamoyl]phenyl]acrylic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)S(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)S(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)O

InChI

InChI=1S/C21H25NO7S/c1-14-6-8-17(27-3)16(10-14)13-22(2)30(25,26)19-12-15(7-9-20(23)24)11-18(28-4)21(19)29-5/h6-12H,13H2,1-5H3,(H,23,24)/b9-7+